(phenylmethyl) N-[[[(3R)-3,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[[[(3R)-3,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]carbamate Openeye Name: benzyl N-[(1R)-4-(benzyloxycarbonylamino)-1-[2-(benzyloxycarbonylaminomethylamino)-2-oxo-ethyl]butyl]carbamate CAS Name: N-[[[(3R)-1-oxo-3,6-bis(phenylmethoxycarbonylamino)hexyl]amino]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[[(3R)-3,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]carbamate Traditional Name: N-[(1R)-4-(benzyloxycarbonylamino)-1-[2-(benzyloxycarbonylaminomethylamino)-2-keto-ethyl]butyl]carbamic acid benzyl ester Formula: C31H36N4O7 MolecularWeight: 576.64014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(CC(=O)NCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC[C@H](CC(=O)NCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36N4O7/c36-28(33-23-34-30(38)41-21-25-13-6-2-7-14-25)19-27(35-31(39)42-22-26-15-8-3-9-16-26)17-10-18-32-29(37)40-20-24-11-4-1-5-12-24/h1-9,11-16,27H,10,17-23H2,(H,32,37)(H,33,36)(H,34,38)(H,35,39)/t27-/m1/s1